V012-9879 Screening compound: methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate

V012-9879 Screening compound: methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate
V012-9879 Screening compound: methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9879
methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V012-9879

Molecular Formula

C23H25F3N6O3 (C23 H25 F3 N6 O3)

Compound Name

methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate

IUPAC name

methyl 6-oxo-6-(4-{7-[3-(trifluoromethyl)phenyl]-[124]triazolo[15-a]pyrimidin-2-yl}piperazin-1-yl)hexanoate

SMILES

COC(CCCCC(N(CC1)CCN1c1nn2c(-c3cccc(C(F)(F)F)c3)ccnc2n1)=O)=O

InChI

InChI=1S/C23H25F3N6O3/c1-35-20(34)8-3-2-7-19(33)30-11-13-31(14-12-30)22-28-21-27-10-9-18(32(21)29-22)16-5-4-6-17(15-16)23(24,25)26/h4-6,9-10,15H,2-3,7-8,11-14H2,1H3

InChI Key

SKBTVHJDVXGTHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953670

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

490.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.17

Polar Surface Area

69.372

Acid Dissociation Constant (pKa)

20.67

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

V012-9879 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V012-9879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9879?
Check Price and Availability of V012-9879, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V012-9879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9879
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V012-9879 available by request